ChemSpider 2D Image | (3R)-3-(Methylsulfanyl)butanoic acid | C5H10O2S

(3R)-3-(Methylsulfanyl)butanoic acid

  • Molecular FormulaC5H10O2S
  • Average mass134.197 Da
  • Monoisotopic mass134.040146 Da
  • ChemSpider ID32992338

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3R)-3-(Methylsulfanyl)butanoic acid [ACD/IUPAC Name]
(3R)-3-(Methylsulfanyl)butansäure [German] [ACD/IUPAC Name]
Acide (3R)-3-(méthylsulfanyl)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 3-(methylthio)-, (3R)- [ACD/Index Name]
141079-84-7 [RN]
MFCD19230870

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 244.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 53.1±6.0 kJ/mol
Flash Point: 101.9±22.6 °C
Index of Refraction: 1.490
Molar Refractivity: 34.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.29
ACD/LogD (pH 7.4): -1.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 13.8±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 120.0±3.0 cm3

Click to predict properties on the Chemicalize site


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